3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide

C19H20F3N3O — CID 131636113

IUPAC3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide
SMILESC[C@H](NC(=O)c1ccc(C2CNNC2)c(C(F)F)c1)c1ccccc1F
InChIInChI=1S/C19H20F3N3O/c1-11(14-4-2-3-5-17(14)20)25-19(26)12-6-7-15(13-9-23-24-10-13)16(8-12)18(21)22/h2-8,11,13,18,23-24H,9-10H2,1H3,(H,25,26)/t11-/m0/s1
InChIKeyXWSFMDKBMHRQNV-NSHDSACASA-N
MW363.38 g/mol
LogP3.45
Rot. Bonds5

About 3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide

3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide (PubChem CID 131636113) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide
PubChem CID131636113
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide
SMILESC[C@H](NC(=O)c1ccc(C2CNNC2)c(C(F)F)c1)c1ccccc1F
InChIInChI=1S/C19H20F3N3O/c1-11(14-4-2-3-5-17(14)20)25-19(26)12-6-7-15(13-9-23-24-10-13)16(8-12)18(21)22/h2-8,11,13,18,23-24H,9-10H2,1H3,(H,25,26)/t11-/m0/s1
InChIKeyXWSFMDKBMHRQNV-NSHDSACASA-N
XLogP3.45
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of 3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide (CID 131636113) is 3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide is C[C@H](NC(=O)c1ccc(C2CNNC2)c(C(F)F)c1)c1ccccc1F.
What is the InChIKey of 3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide?
The InChIKey is XWSFMDKBMHRQNV-NSHDSACASA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-11(14-4-2-3-5-17(14)20)25-19(26)12-6-7-15(13-9-23-24-10-13)16(8-12)18(21)22/h2-8,11,13,18,23-24H,9-10H2,1H3,(H,25,26)/t11-/m0/s1.
What are the key properties of 3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide?
3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide has a molecular weight of 363.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131636113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).